6-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyridine-2-carboxamide

Systemtic Name: 6-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyridine-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-methyl-pyridine-2-carboxamide CAS Name: 6-methyl-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-pyridinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-methylpyridine-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-methyl-picolinamide Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c1-19-6-5-9-23(25-19)24(29)26-21-10-12-22(13-11-21)28-16-14-27(15-17-28)18-20-7-3-2-4-8-20/h2-13H,14-18H2,1H3,(H,26,29)/p+1